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Basic Information
CAS No.: 4379-04-8
Name: 1,3,5-Pentanetricarbonitrile
Molecular Structure:
Molecular Structure of 4379-04-8 (1,3,5-Pentanetricarbonitrile)
Formula: C8H9N3
Molecular Weight: 147.18
Synonyms: 1,3,5-Tricyanopentane;Heptanedinitrile, 4-cyano-;NSC 75083;
Density: 1.042 g/cm3
Boiling Point: 442.1 °C at 760 mmHg
Flash Point: 234.7 °C
PSA: 71.37000
LogP: 1.73374
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Specification

The 1,3,5-Pentanetricarbonitrile, with the CAS registry number 4379-04-8, is also known as 1,3,5-Pentanetricarbonitrile,96.0%+(GC). It belongs to the product categories of Dinitriles & Trinitriles; Trinitriles. This chemical's molecular formula is C8H9N3 and molecular weight is 147.17716. Its systematic name is called pentane-1,3,5-tricarbonitrile. The product should be sealed and stored in dry and well-ventilated place.

Physical properties of 1,3,5-Pentanetricarbonitrile: (1)ACD/LogP: -1.18; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.462; (5)Molar Refractivity: 38.81 cm3; (6)Molar Volume: 141.1 cm3; (7)Surface Tension: 48.6 dyne/cm; (8)Density: 1.042 g/cm3; (9)Flash Point: 234.7 °C; (10)Enthalpy of Vaporization: 69.95 kJ/mol; (11)Boiling Point: 442.1 °C at 760 mmHg; (12)Vapour Pressure: 5.16E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCC(C#N)CCC#N
(2)InChI: InChI=1/C8H9N3/c9-5-1-3-8(7-11)4-2-6-10/h8H,1-4H2
(3)InChIKey: RXIMZKYZCDNHPG-UHFFFAOYAD